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canSAR1768025
FEATURES
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NAMES
    SMILES
    COc1cc(CN(C[C@H]2CC[C@H](C(=O)O)CC2)C2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CSC1=O
    InChI
    InChI=1S/C30H35ClN2O6S/c1-38-27-14-20(4-11-26(27)39-13-12-33-28(34)18-40-30(33)37)17-32(16-19-2-5-21(6-3-19)29(35)36)25-10-7-22-15-23(31)8-9-24(22)25/h4,8-9,11,14-15,19,21,25H,2-3,5-7,10,12-13,16-18H2,1H3,(H,35,36)/t19-,21-,25?
    MOLECULAR FORMULA
    C30H35ClN2O6S
    CROSS REFERENCES
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    canSAR1768025

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.19
    AlogP 5.80
    HBond donors 1
    HBond acceptors 8
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1768025.